Information card for entry 7054296

Structure parameters

• Formula: C37.25 H76 Cl3 Co4 Gd N16 O30.75
• Calculated formula: C36 H68 Cl3 Co4 Gd N16 O28
• SMILES: [Gd]1234([O]5[Co]6789[N](CC(=[N]8O)C)(CC(=[N]9O[Co]89%105[N](CC(=[N]8O1)C)(CC(=[N]9O6)C)CC(=[N]%10O)C)C)CC(=[N]7O2)C)([O]1[Co]2567[N](CC(=[N]6O3)C)(CC(=[N]7O[Co]3671[N](CC(=[N]3O4)C)(CC(=[N]6O2)C)CC(=[N]7O)C)C)CC(=[N]5O)C)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Unprecedented non-cytotoxic [CoIII4LnIII]-core complexes with a tripodal oxime ligand ‒ synthesis, structure, properties and potential applications
• Authors of publication: Premužić, Dejan; Muche, Simon; Hołyńska, Małgorzata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 7
• Pages of publication: 2894
• a: 11.93 ± 0.003 Å
• b: 15.205 ± 0.004 Å
• c: 20.892 ± 0.006 Å
• α: 99.53 ± 0.03°
• β: 95.53 ± 0.03°
• γ: 111.98 ± 0.03°
• Cell volume: 3413.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1863
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No